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CHEBI:159604 - Asn-Asp-Gln

ChEBI IDCHEBI:159604
ChEBI NameAsn-Asp-Gln
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H21N5O8
Net Charge0
Average Mass375.338
Monoisotopic Mass375.13901
SMILESNC(=O)CC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CC(N)=O)C(=O)O
InChIInChI=1S/C13H21N5O8/c14-5(3-9(16)20)11(23)18-7(4-10(21)22)12(24)17-6(13(25)26)1-2-8(15)19/h5-7H,1-4,14H2,(H2,15,19)(H2,16,20)(H,17,24)(H,18,23)(H,21,22)(H,25,26)/t5-,6-,7-/m0/s1
InChIKeyCUQUEHYSSFETRD-ACZMJKKPSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Asn-Asp-Gln (CHEBI:159604) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-5-amino-2-[[(2S)-3-carboxy-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]propanoyl]amino]-5-oxopentanoic acid